2762738 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 9 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 5 5 6 6 7 7 8 9 10 10 11 11 12 12 12 13 13 13 14 15 14 6 12 13 8 9 21 5 6 16 17 7 9 18 19 8 10 11 20 14 22 15 23 24 25 26 27 28 29 15 30 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 2 7.1441 5.5443 5.855 5.5443 6.8335 4.5981 4.5981 6.1279 3.732 3.732 8.1226 6.4763 2.866 2.866 5.8344 5.2411 6.854 7.4473 6.7479 5.7369 3.732 3.732 8.2505 8.7293 7.9948 6.9378 6.0622 6.0148 2.3291 -0.1311 1.7809 -1.9358 0.6241 -0.3264 0.8304 -0.6311 -1.6311 -1.1311 -0.1311 -2.1311 1.9871 2.5252 -0.6311 -1.6311 1.2438 0.7115 0.2107 0.743 -1.1311 -2.5252 0.4889 -2.7511 1.3804 2.115 2.5938 2.9392 2.9866 2.1111 -1.9411 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 7 8 10 11 14 8 9 7 9 8 10 11 14 15 15 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 208 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073010000000000000000000000000000016000000030000000000000005801F000001D00100000000C08C11E0C3EC0F3C99000A0033467440082802031022008D9A03864980820E2C09191842008609000C8C8071080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1H-indol-3-yl)-N,N-dimethyl-ethanamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1<I>H</I>-indol-3-yl)-<I>N</I>,<I>N</I>-dimethylethanamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoranyl-1H-indol-3-yl)-N,N-dimethyl-ethanamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1H-indol-3-yl)ethyl-dimethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H15FN2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BXYDWQABVPBLBU-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.12192665 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H15FN2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)CCC1=CNC2=C1C=C(C=C2)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)CCC1=CNC2=C1C=C(C=C2)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 19 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.12192665 15 0 0 0 0 0 0 0 1 -1